2-(dimethylamino)acetyl chloride

C4H8ClNO — CID 7010344

IUPAC2-(dimethylamino)acetyl chloride
SMILESCN(C)CC(=O)Cl
InChIInChI=1S/C4H8ClNO/c1-6(2)3-4(5)7/h3H2,1-2H3
InChIKeyVTYRPALGSNDUQQ-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.31
Rot. Bonds2

About 2-(dimethylamino)acetyl chloride

2-(dimethylamino)acetyl chloride (PubChem CID 7010344) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is 2-(dimethylamino)acetyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)acetyl chloride
PubChem CID7010344
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name2-(dimethylamino)acetyl chloride
SMILESCN(C)CC(=O)Cl
InChIInChI=1S/C4H8ClNO/c1-6(2)3-4(5)7/h3H2,1-2H3
InChIKeyVTYRPALGSNDUQQ-UHFFFAOYSA-N
XLogP0.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)acetyl chloride?
The IUPAC name of 2-(dimethylamino)acetyl chloride (CID 7010344) is 2-(dimethylamino)acetyl chloride.
What is the SMILES notation for 2-(dimethylamino)acetyl chloride?
The canonical SMILES for 2-(dimethylamino)acetyl chloride is CN(C)CC(=O)Cl.
What is the InChIKey of 2-(dimethylamino)acetyl chloride?
The InChIKey is VTYRPALGSNDUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-6(2)3-4(5)7/h3H2,1-2H3.
What are the key properties of 2-(dimethylamino)acetyl chloride?
2-(dimethylamino)acetyl chloride has a molecular weight of 121.57 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)acetyl chloride is sourced from PubChem (CID 7010344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).